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junliu115142
Finland
3 Posts |
 Posted - 01/19/2013 : 8:17:26 PM
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Origin Ver. and Service Release (Select Help-->About Origin):
Operating System:
Dear all,
Here is a simple but annoying problem. I got the data for MS, after plotting I need to mark the value of each peak on the figure. I tried to use the Peak Analyzer tool, but the system warning that the Input data are not increase. I would appreciate if anybody can show me how to mark all the peaks automatically at shown in the attachment(just mark the value is enough). Please find the data about it. Many thanks in advance. http://www.originlab.com/ftp/forum_and_kbase/Images/DATA.200113.zip
Jun |
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greg
USA
1378 Posts |
Posted - 01/22/2013 : 10:38:56 AM
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First, I would limit the range of analysis to about 1000 to 4100 m/z.
(Use the Regional Data Selector.)
Second, you should pre-condition the data with smoothing. There is so much noise in the data I would recommend using the FFT method with about 20 points.
Third, do your Peak Analysis (PA) on the Smoothed data.
There are many peak finding methods you can play with in the PA.
I got good results with the default method (Local Maximum) with Threshold Height set to 9%. You could go lower, but I am not sure you are interested in those smaller peaks.
Here are my results:
1085.91 3340.29392
1248.01 5989.02276
1263.76 810.5403
1410.05 4426.00804
1425.8 702.16413
2292.19 757.44518
2454.28 2769.11127
2470.06 586.61859
2616.31 2469.54475
2632.04 578.15785
2778.06 705.11421
3660.41 781.13277
3822.42 1005.29285
3984.42 586.85886 |
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Hideo Fujii
USA
1582 Posts |
Posted - 01/22/2013 : 10:54:48 AM
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Hi Jun,
I have tried the Quick Peak gadget to explore the best choice of peak finding algorithm and the parameters.
The good method should depends on the characteristics of the data - noise, distance of peak to peak, etc.
Greg's finding should be one, and also I found the following finding method:
Finding Method: Window Search
Size Option: Percent of Raw data - Height=2, Width=5
Filtering Method: By Height - Threshold=3
You can do the same thing also in Peak Analyzer, and make a theme for routines. Hope this helps.
--Hideo Fujii
OriginLab |
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junliu115142
Finland
3 Posts |
Posted - 01/23/2013 : 6:10:46 PM
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Dear greg,
Thank you very much for your kindly reply. Yes, your method is very good! Thanks!
BR.
Jun
quote:
Originally posted by greg
First, I would limit the range of analysis to about 1000 to 4100 m/z.
(Use the Regional Data Selector.)
Second, you should pre-condition the data with smoothing. There is so much noise in the data I would recommend using the FFT method with about 20 points.
Third, do your Peak Analysis (PA) on the Smoothed data.
There are many peak finding methods you can play with in the PA.
I got good results with the default method (Local Maximum) with Threshold Height set to 9%. You could go lower, but I am not sure you are interested in those smaller peaks.
Here are my results:
1085.91 3340.29392
1248.01 5989.02276
1263.76 810.5403
1410.05 4426.00804
1425.8 702.16413
2292.19 757.44518
2454.28 2769.11127
2470.06 586.61859
2616.31 2469.54475
2632.04 578.15785
2778.06 705.11421
3660.41 781.13277
3822.42 1005.29285
3984.42 586.85886
Jun |
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junliu115142
Finland
3 Posts |
Posted - 01/23/2013 : 6:18:58 PM
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Dear Hideo Fujii,
Thank you for your kindly reply and help. Yes, the method you show me is the most immediate and simple approach. But one problem is that the version I used now is Origin 8, and the Quick Peak gadget you mentioned is not included in this version. I have tried to update the software, but still no this tool. So, do you think I need to uninstall the version I used now and buy a new version which contain new feature, e.g. Origin 8.5 or 9.0 ? Anyway, thanks again.
BR.
Jun
quote:
Originally posted by Hideo Fujii
Hi Jun,
I have tried the Quick Peak gadget to explore the best choice of peak finding algorithm and the parameters.
The good method should depends on the characteristics of the data - noise, distance of peak to peak, etc.
Greg's finding should be one, and also I found the following finding method:
Finding Method: Window Search
Size Option: Percent of Raw data - Height=2, Width=5
Filtering Method: By Height - Threshold=3
You can do the same thing also in Peak Analyzer, and make a theme for routines. Hope this helps.
--Hideo Fujii
OriginLab
Jun |
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Hideo Fujii
USA
1582 Posts |
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Topic |
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Mark MALDI-TOF MS peaks automatically